| SpectraBase Spectrum ID |
HKsxId9O3EJ |
| Name |
(+-)-syn-2-[2-oxo-3-(3-oxobutyl)cyclohexyl]acetic acid |
| Alternate Name(s) |
[2-oxo-3-(3-oxobutyl)cyclohexyl]acetic acid
2-[2-oxo-3-(3-oxobutyl)cyclohexyl]acetic acid
2-[2-oxidanylidene-3-(3-oxidanylidenebutyl)cyclohexyl]ethanoic acid |
| CAS Registry Number |
119297-28-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-8(13)5-6-9-3-2-4-10(12(9)16)7-11(14)15/h9-10H,2-7H2,1H3,(H,14,15) |
| InChIKey |
PCVRLSCXPUFGMW-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
OC(CC1C(=O)C(CCC(=O)C)CCC1)=O |
| SPLASH |
splash10-0a4i-0090000000-4f6a324e1cf50cb8b989 |
| Source of Spectrum |
J-54-1794-10 |
| Wiley ID |
1227309 |
![(+-)-syn-2-[2-oxo-3-(3-oxobutyl)cyclohexyl]acetic acid](/api/spectrum/HKsxId9O3EJ/structure.png?h=300&w=458 "(+-)-syn-2-[2-oxo-3-(3-oxobutyl)cyclohexyl]acetic acid")
